4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one

C17H24O3 — CID 15265985

IUPAC4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one
SMILESCCC1(C)C(=O)C(C)(CC)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C17H24O3/c1-5-15(3)12-8-7-9-13(12)17(19-10-11-20-17)16(4,6-2)14(15)18/h7,9H,5-6,8,10-11H2,1-4H3
InChIKeyXYRMIRALYNIZPT-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.40
Rot. Bonds2

About 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one

4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one (PubChem CID 15265985) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one.

Molecular Properties

Compound Name4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one
PubChem CID15265985
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one
SMILESCCC1(C)C(=O)C(C)(CC)C2(OCCO2)C2=C1CC=C2
InChIInChI=1S/C17H24O3/c1-5-15(3)12-8-7-9-13(12)17(19-10-11-20-17)16(4,6-2)14(15)18/h7,9H,5-6,8,10-11H2,1-4H3
InChIKeyXYRMIRALYNIZPT-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
The IUPAC name of 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one (CID 15265985) is 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one.
What is the SMILES notation for 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
The canonical SMILES for 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one is CCC1(C)C(=O)C(C)(CC)C2(OCCO2)C2=C1CC=C2.
What is the InChIKey of 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
The InChIKey is XYRMIRALYNIZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-5-15(3)12-8-7-9-13(12)17(19-10-11-20-17)16(4,6-2)14(15)18/h7,9H,5-6,8,10-11H2,1-4H3.
What are the key properties of 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one?
4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one has a molecular weight of 276.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4',6'-diethyl-4',6'-dimethylspiro[1,3-dioxolane-2,7'-3H-indene]-5'-one is sourced from PubChem (CID 15265985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).